Synthesis of Prussian Blue nanocrystals with metal complexes as precursors: Quantitative calculations of species distribution and its effects on particles size

Metal complexes are often employed as precursors for the preparation of nanocrystals. Prussian Blue nanocrystals were prepared as a model product with Fe(III)–oxalic acid complexes as precursors. The particles size was easily tuned by varying the molar ratio of oxalic acid to FeCl3. Quantitative calculation of the species distribution was investigated to interpret the experimental results for the first time. The theoretical estimation is well consistent with the experimental results. The calculation is useful for selection of ligand and ligand-to-metal molar ratios, as well as for prediction of precipitation process. This method can be expanded to other ligands and reactions.

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► Prussian Blue nanocrystals were prepared with Fe3+–oxalic acid complexes.
► Quantitative calculation of species distribution was investigated.
► The calculation is useful for ligand selection and prediction of particles size.